28991-95-9 Usage
Uses
Used in Medicinal Chemistry:
4-TERT-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER is used as a building block in the synthesis of new drugs and bioactive molecules. Its unique structural features make it valuable for creating compounds that can effectively bind to biological targets, which is crucial for the development of pharmaceuticals with specific therapeutic effects.
Used in Drug Discovery:
In the field of drug discovery, 4-TERT-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER serves as a key component in the design and synthesis of novel compounds with potential medicinal properties. Its steric hindrance and lipophilicity, provided by the tert-butyl and ethyl ester groups, can influence the pharmacokinetic properties of the resulting molecules, enhancing their absorption, distribution, metabolism, and excretion within the body.
Used in Organic Synthesis:
4-TERT-BUTYL-3,5-DIMETHYL-1H-PYRROLE-2-CARBOXYLIC ACID ETHYL ESTER is also utilized in organic synthesis for the preparation of a variety of chemical compounds. Its versatility allows it to be incorporated into different chemical structures, expanding the range of possible applications in various industries, including pharmaceuticals, agrochemicals, and materials science.
Check Digit Verification of cas no
The CAS Registry Mumber 28991-95-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,8,9,9 and 1 respectively; the second part has 2 digits, 9 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 28991-95:
(7*2)+(6*8)+(5*9)+(4*9)+(3*1)+(2*9)+(1*5)=169
169 % 10 = 9
So 28991-95-9 is a valid CAS Registry Number.
InChI:InChI=1/C13H21NO2/c1-7-16-12(15)11-8(2)10(9(3)14-11)13(4,5)6/h14H,7H2,1-6H3
28991-95-9Relevant academic research and scientific papers
Skowronek, Pawel,Lightner, David A.
, p. 889 - 899 (2003)
Diethyl 3,3′-di-tert-butyl-4,4′-dimethyl-2,2′-bipyrrole- 5,5′-dicarboxylate was synthesized in four steps from ethyl 3,5-dimethyl-1H-pyrrole-2-carboxylate. The CH2 hydrogens of the ethyl ester groups of the former are diastereotopic in the 1H-NMR, consistent with axial chirality of the bipyrrole and restricted rotation about the 2,2′-bipyrrole bond, due to the tert-butyl groups. An X-ray structure of the crystalline target compound shows the pyrrole rings are twisted out of coplanarity by 84.5°.
tert-butyl-substituted tripyrranes: Insights into the steric and conformational factors that influence porphyrinoid ring formation in the "3 + 1" methodology
Jiao, Wenhua,Lash, Timothy D.
, p. 3896 - 3901 (2007/10/03)
The MacDonald "3 + 1" route for porphyrinoid synthesis involves the acid-catalyzed condensation of tripyrranes with monocyclic dialdehydes, followed by an oxidation step. In the present study, yields were found to be greatly diminished when tert-butyl sub
